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We present a simple and stable numerical method to approximate the ground state of a quantum many-body system by multiple determinant states. This method searches these determinant states one by one according to the matching pursuit…

Strongly Correlated Electrons · Physics 2009-11-13 Quanlin Jie

The classical simulation of quantum systems typically requires exponential resources. Recently, the introduction of a machine learning-based wavefunction ansatz has led to the ability to solve the quantum many-body problem in regimes that…

Disordered Systems and Neural Networks · Physics 2019-10-24 Joseph Gomes , Keri A. McKiernan , Peter Eastman , Vijay S. Pande

A long-standing goal of nuclear theory is to explain how the structure and dynamics of atomic nuclei and neutron-star matter emerge from the underlying interactions among protons and neutrons. Achieving this goal requires solving the…

Calculating ground and excited states is an exciting prospect for near-term quantum computing applications, and accurate and efficient algorithms are needed to assess viable directions. We develop an excited state approach based on the…

Quantum Physics · Physics 2024-09-09 Scott E. Smart , Davis M. Welakuh , Prineha Narang

It is believed that one of the first useful applications for a quantum computer will be the preparation of groundstates of molecular Hamiltonians. A crucial task involving state preparation and readout is obtaining physical observables of…

This paper presents a general neural network framework for solving quantum few-body systems, extending prior methods to handle diverse particle masses, interaction types, and system configurations. Our architecture, which combines an…

Computational Physics · Physics 2026-03-16 Jin Ziqi , Paolo Recchia , Mario Gattobigio

Classifying many-body quantum states with distinct properties and phases of matter is one of the most fundamental tasks in quantum many-body physics. However, due to the exponential complexity that emerges from the enormous numbers of…

Quantum computing has the potential to transform simulations of quantum many-body problems at the heart of electronic structure theory. Efficient quantum algorithms to compute the eigenstates of fermionic Hamiltonians, such as quantum phase…

Quantum Physics · Physics 2026-05-29 Hugh G. A. Burton , Maria-Andreea Filip

We study the behavior of the bound state energy of a system consisting of two identical heavy fermions of mass M and a light particle of mass m. The heavy fermions interact with the light particle through a short-range two-body potential…

Quantum Gases · Physics 2015-06-12 A. Safavi-Naini , Seth. T. Rittenhouse , D. Blume , H. R. Sadeghpour

We present an overview of the method of Neural Quantum States applied to the many-body problem of atomic nuclei. Through the lens of group representation theory, we focus on the problem of constructing neural-network ans\"atze that respect…

Nuclear Theory · Physics 2024-11-19 J. Rozalén Sarmiento , A. Rios

Overview of the recent advances in description of the few two-component fermions is presented. The model of zero-range interaction is generally considered to discuss the principal aspects of the few-body dynamics. Particular attention is…

Atomic Physics · Physics 2014-04-02 O. I. Kartavtsev , A. V. Malykh

We propose a method to obtain the thermal-equilibrium density matrix of a many-body quantum system using artificial neural networks. The variational function of the many-body density matrix is represented by a convolutional neural network…

Disordered Systems and Neural Networks · Physics 2020-03-18 Naoki Irikura , Hiroki Saito

The rapid development of neural quantum states (NQS) has established it as a promising framework for studying quantum many-body systems. In this work, by leveraging the cutting-edge transformer-based architectures and developing highly…

Strongly Correlated Electrons · Physics 2025-07-11 Yuntian Gu , Wenrui Li , Heng Lin , Bo Zhan , Ruichen Li , Yifei Huang , Di He , Yantao Wu , Tao Xiang , Mingpu Qin , Liwei Wang , Dingshun Lv

The numerical solution of the many-body problem of interacting electrons and ions is a key challenge in condensed matter physics, chemistry, and materials science. Traditional methods to solve the multi-component quantum Hamiltonian are…

Materials Science · Physics 2025-10-24 Lorenzo Monacelli , Antonio Siciliano , Nicola Marzari

We introduce a family of neural quantum states for the simulation of strongly interacting systems in the presence of spatial periodicity. Our variational state is parameterized in terms of a permutationally-invariant part described by the…

Quantum Physics · Physics 2022-05-31 Gabriel Pescia , Jiequn Han , Alessandro Lovato , Jianfeng Lu , Giuseppe Carleo

The widespread use of the noninteracting ground state as the initial state for the digital quantum simulation of the Fermi-Hubbard model is largely due to the scarcity of alternative easy-to-prepare approximations to the exact ground state…

Strongly Correlated Electrons · Physics 2024-01-17 Bruno Murta , Joaquín Fernández-Rossier

It is often computationally advantageous to model space as a discrete set of points forming a lattice grid. This technique is particularly useful for computationally difficult problems such as quantum many-body systems. For reasons of…

Quantum Gases · Physics 2021-10-13 Young-Ho Song , Youngman Kim , Ning Li , Bing-Nan Lu , Rongzheng He , Dean Lee

Deep neural networks have been extremely successful as highly accurate wave function ans\"atze for variational Monte Carlo calculations of molecular ground states. We present an extension of one such ansatz, FermiNet, to calculations of the…

Computational Physics · Physics 2023-02-01 G. Cassella , H. Sutterud , S. Azadi , N. D. Drummond , D. Pfau , J. S. Spencer , W. M. C. Foulkes

Machine learning approaches have recently been applied to the study of various problems in physics. Most of the studies are focused on interpreting the data generated by conventional numerical methods or an existing database. An interesting…

Strongly Correlated Electrons · Physics 2020-08-31 Nicholas Walker , Samuel Kellar , Yi Zhang , Ka-Ming Tam

The quantum many-body problem lies at the center of the most important open challenges in condensed matter, quantum chemistry, atomic, nuclear, and high-energy physics. While quantum Monte Carlo, when applicable, remains the most powerful…

Strongly Correlated Electrons · Physics 2022-06-30 Hongwei Chen , Douglas Hendry , Phillip Weinberg , Adrian E. Feiguin